3-chloro-6-(2-methoxyethylsulfanyl)-4,5-dimethylpyridazine

C9H13ClN2OS — CID 63272578

IUPAC3-chloro-6-(2-methoxyethylsulfanyl)-4,5-dimethylpyridazine
SMILESCOCCSc1nnc(Cl)c(C)c1C
InChIInChI=1S/C9H13ClN2OS/c1-6-7(2)9(12-11-8(6)10)14-5-4-13-3/h4-5H2,1-3H3
InChIKeyMYRYCGUJZRIXBB-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.49
Rot. Bonds4

About 3-chloro-6-(2-methoxyethylsulfanyl)-4,5-dimethylpyridazine

3-chloro-6-(2-methoxyethylsulfanyl)-4,5-dimethylpyridazine (PubChem CID 63272578) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 3-chloro-6-(2-methoxyethylsulfanyl)-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-chloro-6-(2-methoxyethylsulfanyl)-4,5-dimethylpyridazine
PubChem CID63272578
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name3-chloro-6-(2-methoxyethylsulfanyl)-4,5-dimethylpyridazine
SMILESCOCCSc1nnc(Cl)c(C)c1C
InChIInChI=1S/C9H13ClN2OS/c1-6-7(2)9(12-11-8(6)10)14-5-4-13-3/h4-5H2,1-3H3
InChIKeyMYRYCGUJZRIXBB-UHFFFAOYSA-N
XLogP2.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-methoxyethylsulfanyl)-4,5-dimethylpyridazine?
The IUPAC name of 3-chloro-6-(2-methoxyethylsulfanyl)-4,5-dimethylpyridazine (CID 63272578) is 3-chloro-6-(2-methoxyethylsulfanyl)-4,5-dimethylpyridazine.
What is the SMILES notation for 3-chloro-6-(2-methoxyethylsulfanyl)-4,5-dimethylpyridazine?
The canonical SMILES for 3-chloro-6-(2-methoxyethylsulfanyl)-4,5-dimethylpyridazine is COCCSc1nnc(Cl)c(C)c1C.
What is the InChIKey of 3-chloro-6-(2-methoxyethylsulfanyl)-4,5-dimethylpyridazine?
The InChIKey is MYRYCGUJZRIXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-6-7(2)9(12-11-8(6)10)14-5-4-13-3/h4-5H2,1-3H3.
What are the key properties of 3-chloro-6-(2-methoxyethylsulfanyl)-4,5-dimethylpyridazine?
3-chloro-6-(2-methoxyethylsulfanyl)-4,5-dimethylpyridazine has a molecular weight of 232.74 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-methoxyethylsulfanyl)-4,5-dimethylpyridazine is sourced from PubChem (CID 63272578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).